N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-glucopyranosyl)oxy]methyl]-3-heptadecen-1-yl]hexadecanamide

CAS Registry Number®

862509-48-6
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CAS Name

N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-glucopyranosyl)oxy]methyl]-3-heptadecen-1-yl]hexadecanamide

Molecular Formula

C40H77NO11S

Molecular Mass

780.10

Cite this Page

N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-glucopyranosyl)oxy]methyl]-3-heptadecen-1-yl]hexadecanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=862509-48-6 (retrieved 2024-09-20) (CAS RN: 862509-48-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37+,38+,39-,40+/m0/s1

InChIKey

InChIKey=CJGVDSGIQZDLDO-JYOXAPSSSA-N

SMILES

O(C[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCC)=O)[C@H]1[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O)[C@@H](CO)O1

Canonical SMILES

O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC

Other Names for this Substance

  • Hexadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-glucopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-
  • Hexadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-glucopyranosyl)oxy]methyl]-3-heptadecenyl]-
  • N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfo-β-D-glucopyranosyl)oxy]methyl]-3-heptadecen-1-yl]hexadecanamide